2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide

C19H25N3O5S2 — CID 30258733

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O5S2/c1-5-15-8-6-7-9-18(15)20-19(23)14-22(28(4,24)25)16-10-12-17(13-11-16)29(26,27)21(2)3/h6-13H,5,14H2,1-4H3,(H,20,23)
InChIKeyBJLJVCMTNIFSES-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.90
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide (PubChem CID 30258733) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
PubChem CID30258733
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C19H25N3O5S2/c1-5-15-8-6-7-9-18(15)20-19(23)14-22(28(4,24)25)16-10-12-17(13-11-16)29(26,27)21(2)3/h6-13H,5,14H2,1-4H3,(H,20,23)
InChIKeyBJLJVCMTNIFSES-UHFFFAOYSA-N
XLogP1.90
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
N-(2-ethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 846890
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methoxyphenyl)acetamide
CID 30261797
2-(4-acetamido-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 113155828
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(2-ethylphenyl)acetamide
CID 126123586
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 30276090
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 30271390
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide (CID 30258733) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(c1ccc(S(=O)(=O)N(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide?
The InChIKey is BJLJVCMTNIFSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-5-15-8-6-7-9-18(15)20-19(23)14-22(28(4,24)25)16-10-12-17(13-11-16)29(26,27)21(2)3/h6-13H,5,14H2,1-4H3,(H,20,23).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 30258733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).